GENERAL INFO

Title: /Paper/Outputs_Inputs_CGET/II_OMe_Cpstar II_OMe_Cpstar_spbs
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/23565
Program: Gaussian 09
Author: García, Cristina
Formula: C 20.0 H 27.0 N 1.0 O 5.0 Rh 1.0
Calculation type: Single point Structure
Method(s): RwB97XD

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: 1 1

JOB |

Energies


Energy Value Units
HF -1318.5726727 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-0.4219 -8.0973 -4.5967 9.3206

Quadrupole moment

XX YY ZZ XY XZ YZ
-114.4718 -149.3173 -154.7371 -3.1265 8.5141 -7.0187

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